3-methyl-N-[4-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]butanamide

C22H28N2O3 — CID 42785017

About 3-methyl-N-[4-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]butanamide

3-methyl-N-[4-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]butanamide (PubChem CID 42785017) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 3-methyl-N-[4-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]butanamide.

Molecular Properties

• Compound Name: 3-methyl-N-[4-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]butanamide
• PubChem CID: 42785017
• Molecular Formula: C22H28N2O3
• Molecular Weight: 368.48 g/mol
• Exact Mass: 368.21
• IUPAC Name: 3-methyl-N-[4-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]butanamide
• SMILES: CC(C)CC(=O)Nc1ccc(-c2cc3c(o2)CCN(C(=O)C(C)C)C3)cc1
• InChI: InChI=1S/C22H28N2O3/c1-14(2)11-21(25)23-18-7-5-16(6-8-18)20-12-17-13-24(22(26)15(3)4)10-9-19(17)27-20/h5-8,12,14-15H,9-11,13H2,1-4H3,(H,23,25)
• InChIKey: WPOBOWHYWDJCNE-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 62.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.48
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]butanamide?

The IUPAC name of 3-methyl-N-[4-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]butanamide (CID 42785017) is 3-methyl-N-[4-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]butanamide.

What is the SMILES notation for 3-methyl-N-[4-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]butanamide?

The canonical SMILES for 3-methyl-N-[4-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]butanamide is CC(C)CC(=O)Nc1ccc(-c2cc3c(o2)CCN(C(=O)C(C)C)C3)cc1.

What is the InChIKey of 3-methyl-N-[4-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]butanamide?

The InChIKey is WPOBOWHYWDJCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-14(2)11-21(25)23-18-7-5-16(6-8-18)20-12-17-13-24(22(26)15(3)4)10-9-19(17)27-20/h5-8,12,14-15H,9-11,13H2,1-4H3,(H,23,25).

What are the key properties of 3-methyl-N-[4-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]butanamide?

3-methyl-N-[4-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]butanamide has a molecular weight of 368.48 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[4-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]butanamide is sourced from PubChem (CID 42785017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).